cyclopent-2-en-1-ylmethanethiol

C6H10S — CID 20648648

IUPACcyclopent-2-en-1-ylmethanethiol
SMILESSCC1C=CCC1
InChIInChI=1S/C6H10S/c7-5-6-3-1-2-4-6/h1,3,6-7H,2,4-5H2
InChIKeyJMHDGBHLJUWALM-UHFFFAOYSA-N
MW114.21 g/mol
LogP1.88
Rot. Bonds1

About cyclopent-2-en-1-ylmethanethiol

cyclopent-2-en-1-ylmethanethiol (PubChem CID 20648648) has the molecular formula C6H10S and a molecular weight of 114.21 g/mol. Its IUPAC name is cyclopent-2-en-1-ylmethanethiol.

Molecular Properties

Compound Namecyclopent-2-en-1-ylmethanethiol
PubChem CID20648648
Molecular FormulaC6H10S
Molecular Weight114.21 g/mol
Exact Mass114.05
IUPAC Namecyclopent-2-en-1-ylmethanethiol
SMILESSCC1C=CCC1
InChIInChI=1S/C6H10S/c7-5-6-3-1-2-4-6/h1,3,6-7H,2,4-5H2
InChIKeyJMHDGBHLJUWALM-UHFFFAOYSA-N
XLogP1.88
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.21
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cyclopent-2-en-1-ylmethanethiol?
The IUPAC name of cyclopent-2-en-1-ylmethanethiol (CID 20648648) is cyclopent-2-en-1-ylmethanethiol.
What is the SMILES notation for cyclopent-2-en-1-ylmethanethiol?
The canonical SMILES for cyclopent-2-en-1-ylmethanethiol is SCC1C=CCC1.
What is the InChIKey of cyclopent-2-en-1-ylmethanethiol?
The InChIKey is JMHDGBHLJUWALM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10S/c7-5-6-3-1-2-4-6/h1,3,6-7H,2,4-5H2.
What are the key properties of cyclopent-2-en-1-ylmethanethiol?
cyclopent-2-en-1-ylmethanethiol has a molecular weight of 114.21 g/mol, XLogP of 1.88, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopent-2-en-1-ylmethanethiol is sourced from PubChem (CID 20648648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).